2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one

C8H13N3O — CID 83845962

IUPAC2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1[C@@H]1CCCN1
InChIInChI=1S/C8H13N3O/c1-11-7(5-8(12)10-11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyJDGKTJXNDNITIN-LURJTMIESA-N
MW167.21 g/mol
LogP0.14
Rot. Bonds1

About 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one

2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one (PubChem CID 83845962) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one
PubChem CID83845962
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1[C@@H]1CCCN1
InChIInChI=1S/C8H13N3O/c1-11-7(5-8(12)10-11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyJDGKTJXNDNITIN-LURJTMIESA-N
XLogP0.14
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
2-methyl-3-(2-pyrrolidin-2-ylethyl)-1H-pyrazol-5-one
CID 83847592
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 83391956
1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322
2-methyl-5-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 131137914
(2S)-2-(4-methylfuran-3-yl)pyrrolidine
CID 96733805
3-[(2S)-pyrrolidin-2-yl]-2H-1,2-oxazol-5-one
CID 83845605
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one (CID 83845962) is 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1[C@@H]1CCCN1.
What is the InChIKey of 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one?
The InChIKey is JDGKTJXNDNITIN-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7(5-8(12)10-11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,12)/t6-/m0/s1.
What are the key properties of 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one?
2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one has a molecular weight of 167.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one is sourced from PubChem (CID 83845962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).